3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine

C14H18F4N2 — CID 107303833

IUPAC3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCCC1CN(c2ccc(C(F)(F)F)cc2F)CCC1N
InChIInChI=1S/C14H18F4N2/c1-2-9-8-20(6-5-12(9)19)13-4-3-10(7-11(13)15)14(16,17)18/h3-4,7,9,12H,2,5-6,8,19H2,1H3
InChIKeyJXZKZGLZYLQXPK-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.41
Rot. Bonds2

About 3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine

3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 107303833) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine
PubChem CID107303833
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCCC1CN(c2ccc(C(F)(F)F)cc2F)CCC1N
InChIInChI=1S/C14H18F4N2/c1-2-9-8-20(6-5-12(9)19)13-4-3-10(7-11(13)15)14(16,17)18/h3-4,7,9,12H,2,5-6,8,19H2,1H3
InChIKeyJXZKZGLZYLQXPK-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine (CID 107303833) is 3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine is CCC1CN(c2ccc(C(F)(F)F)cc2F)CCC1N.
What is the InChIKey of 3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine?
The InChIKey is JXZKZGLZYLQXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-2-9-8-20(6-5-12(9)19)13-4-3-10(7-11(13)15)14(16,17)18/h3-4,7,9,12H,2,5-6,8,19H2,1H3.
What are the key properties of 3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine?
3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine has a molecular weight of 290.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 107303833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).